Geometry & MOs

Info

ID:	67882
PubChem CID:	46507359
Reduced:	O3N5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	346.092912
ΔH_f, kcal/mol:	6.61
Dipole, Da:	5.47
IP(EA), eV:	-8.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[3-(trifluoromethyl)anilino]quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3C=CN4C(=NN=C4C3=C2)CCC(=O)O

DOS

IR

Vibrations